4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine

C20H14ClN5O2 — CID 11997718

IUPAC4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine
SMILESCC1(c2ccc([N+](=O)[O-])cc2)Nc2c(Cl)ncnc2-n2c1cc1ccccc12
InChIInChI=1S/C20H14ClN5O2/c1-20(13-6-8-14(9-7-13)26(27)28)16-10-12-4-2-3-5-15(12)25(16)19-17(24-20)18(21)22-11-23-19/h2-11,24H,1H3
InChIKeyXQMQAMXZMMWKMG-UHFFFAOYSA-N
MW391.82 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine

4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine (PubChem CID 11997718) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine.

Molecular Properties

Compound Name4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine
PubChem CID11997718
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC Name4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine
SMILESCC1(c2ccc([N+](=O)[O-])cc2)Nc2c(Cl)ncnc2-n2c1cc1ccccc12
InChIInChI=1S/C20H14ClN5O2/c1-20(13-6-8-14(9-7-13)26(27)28)16-10-12-4-2-3-5-15(12)25(16)19-17(24-20)18(21)22-11-23-19/h2-11,24H,1H3
InChIKeyXQMQAMXZMMWKMG-UHFFFAOYSA-N
XLogP4.67
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine?
The IUPAC name of 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine (CID 11997718) is 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine.
What is the SMILES notation for 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine?
The canonical SMILES for 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine is CC1(c2ccc([N+](=O)[O-])cc2)Nc2c(Cl)ncnc2-n2c1cc1ccccc12.
What is the InChIKey of 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine?
The InChIKey is XQMQAMXZMMWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c1-20(13-6-8-14(9-7-13)26(27)28)16-10-12-4-2-3-5-15(12)25(16)19-17(24-20)18(21)22-11-23-19/h2-11,24H,1H3.
What are the key properties of 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine?
4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine has a molecular weight of 391.82 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-6-(4-nitrophenyl)-5H-indolo[2,1-h]pteridine is sourced from PubChem (CID 11997718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).